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CAS 59097-06-2 Methyl1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate molecular structure lightbox
CAS RN: 59097-06-2

Methyl1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate

  • Product code: SSC-167481
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 59097-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

59097-06-2 / methyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate

Standard CAS: 59097-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59097-06-2
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
InChI
InChI=1S/C8H13NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h3H,4-6H2,1-2H3
InChIKey
SVXZBICQLNEMLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.21
TPSA
29.54

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.5
Consensus LogP
0.43
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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